SCHEMBL2986985

SCHEMBL2986985

CCOP(=O)(OCC)c1cc2c(O)c(c1)Cc1cc(P(=O)(OCC)OCC)cc(c1O)Cc1cc(P(=O)(OCC)OCC)cc(c1O)Cc1cc(P(=O)(OCC)OCC)cc(c1O)Cc1cc(P(=O)(OCC)OCC)cc(c1O)Cc1cc(P(=O)(OCC)OCC)cc(c1O)C2

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PTPRB P23467 5/20 0.44
▸ PTPN2 P17706 5/20 0.44
▸ PTPN1 P18031 5/20 0.44
▸ PTPN11 Q06124 5/20 0.44
▸ PTPN4 P29074 1/20 0.44
▸ PTPN9 P43378 1/20 0.44
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ POLB P06746 1/20 0.41
▸ GSTA1 P08263 5/20 0.38
▸ GSTP1 P09211 5/20 0.38
▸ PTPRC P08575 4/20 0.38
▸ HMGCR P04035 3/20 0.38
▸ NR1I2 O75469 1/20 0.38
▸ ING2 Q9H160 1/20 0.36
▸ DUSP5 Q16690 1/20 0.34
▸ DUSP6 Q16828 1/20 0.34
▸ ACHE P22303 1/20 0.34
▸ CD69 Q07108 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2990563 1.00 PTPRB (0.44) PTPRBPTPN2PTPN1PTPN11PTPN4
SCHEMBL2992702 0.79 POLB (0.34) MEN1KMT2APOLBACHECD69
SCHEMBL2990792 0.79 POLB (0.34) MEN1KMT2APOLBACHECD69
SCHEMBL6067643 0.76 GSTA1 (0.44) PTPRBPTPN2PTPN1PTPN11GSTA1
SCHEMBL2455787 0.74 HMGCR (0.57) MEN1KMT2APOLBHMGCRNR1I2
SCHEMBL12012729 0.72 POLB (0.43) MEN1KMT2APOLBHMGCRNR1I2
SCHEMBL2534198 0.71 TSHR (0.40) MEN1KMT2APOLBACHE
SCHEMBL2990273 0.70 PTPRB (0.55) PTPRBPTPN2PTPN1PTPN11PTPN4
SCHEMBL2984001 0.70 PTPRB (0.55) PTPRBPTPN2PTPN1PTPN11PTPN4
SCHEMBL12229694 0.69 TDP1 (0.39) MEN1KMT2APOLBNR1I2ACHE

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8252954-B2 Processes for the preparation of calixarene derivatives THE CURATORS OF THE UNIVERSITY OF MISSOURI (US) 2012-08-28 — — US disclosed
US-20100185022-A1 PROCESSES FOR THE PREPARATION OF CALIXARENE DERIVATIVES THE UNIVERSITY OF WESTERN AUSTRALIA (AU) 2010-07-22 — — US disclosed
WO-2008148168-A1 PROCESSES FOR THE PREPARATION OF CALIXARENE DERIVATIVES THE UNIVERSITY OF WESTERN AUSTRALIA (AU) 2008-12-11 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100185022-A1 PROCESSES FOR THE PREPARATION OF CALIXARENE DERIVATIVES CALD1, CANX, CALU PTPRB 250/4885PTPN2 930/4885PTPN1 791/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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